N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide

C14H22N2O2 — CID 81400796

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCCNC1)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-11(13-5-3-9-18-13)16-14(17)7-6-12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyOUNMKIARMDXEIX-PXYINDEMSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide

N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide (PubChem CID 81400796) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
PubChem CID81400796
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCCNC1)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-11(13-5-3-9-18-13)16-14(17)7-6-12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyOUNMKIARMDXEIX-PXYINDEMSA-N
XLogP2.24
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
CID 71638021
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-[(1R)-1-cyclopentylethyl]-3-piperidin-3-ylpropanamide
CID 81390288
N-[(1S)-1-(furan-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 81400402
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide (CID 81400796) is N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide is C[C@H](NC(=O)CCC1CCCNC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide?
The InChIKey is OUNMKIARMDXEIX-PXYINDEMSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(13-5-3-9-18-13)16-14(17)7-6-12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11-,12?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 81400796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).